(2R)-2-butyl-N-[(5-nitro-1,3-benzoxazol-2-yl)methyl]-N'-oxidanyl-butanediamide

Systemtic Name: (2R)-2-butyl-N-[(5-nitro-1,3-benzoxazol-2-yl)methyl]-N'-oxidanyl-butanediamide Openeye Name: (2R)-2-[2-(hydroxyamino)-2-oxo-ethyl]-N-[(5-nitro-1,3-benzoxazol-2-yl)methyl]hexanamide CAS Name: (2R)-2-butyl-N'-hydroxy-N-[(5-nitro-1,3-benzoxazol-2-yl)methyl]butanediamide IUPAC Name: (2R)-2-butyl-N'-hydroxy-N-[(5-nitro-1,3-benzoxazol-2-yl)methyl]butanediamide Traditional Name: (2R)-2-[2-(hydroxyamino)-2-keto-ethyl]-N-[(5-nitro-1,3-benzoxazol-2-yl)methyl]hexanamide Formula: C16H20N4O6 MolecularWeight: 364.3532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)NO)C(=O)NCC1=NC2=C(O1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC[C@H](CC(=O)NO)C(=O)NCC1=NC2=C(O1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O6/c1-2-3-4-10(7-14(21)19-23)16(22)17-9-15-18-12-8-11(20(24)25)5-6-13(12)26-15/h5-6,8,10,23H,2-4,7,9H2,1H3,(H,17,22)(H,19,21)/t10-/m1/s1